|
Docking and scoring of submitted compounds (model #4853)
|
|
0
|
462
|
May 5, 2020
|
|
Docking and scoring of submitted compounds (model #4839)
|
|
0
|
364
|
May 5, 2020
|
|
Cysteine proteases from ReFrame Library Repurposing Screen
|
|
5
|
654
|
April 29, 2020
|
|
Protonation States of SARS-CoV-2
|
|
6
|
1111
|
April 29, 2020
|
|
Call 2 - MedChem Selection - docking results
|
|
2
|
667
|
April 22, 2020
|
|
Docking and MD/MMGBSA rescoring of covalent warheads
|
|
0
|
416
|
April 19, 2020
|
|
ADMET predictions
|
|
4
|
1191
|
April 19, 2020
|
|
Central point for Scoring and Docking
|
|
16
|
1590
|
April 17, 2020
|
|
Screening cascade - fast track and regular track of designs
|
|
2
|
1835
|
April 8, 2020
|
|
Exploring the submitted structures
|
|
21
|
1801
|
April 7, 2020
|
|
DOCKovalent results
|
|
3
|
580
|
April 4, 2020
|
|
Pharmacophore Results For Covalent Ideas - 4th April 2020
|
|
1
|
406
|
April 4, 2020
|
|
Alternative binding sites - covalent and non-covalent - dimerization
|
|
0
|
339
|
April 3, 2020
|
|
Second design call: focus on covalents and merging with non-covalents
|
|
32
|
5082
|
April 2, 2020
|
|
List of covalent/noncovalent fragment pairs which overlap in space
|
|
0
|
338
|
April 2, 2020
|
|
Enumeration of non-covalent fragments with KNIME
|
|
8
|
865
|
March 31, 2020
|
|
Ligand design based on DMSO bound to His163 in 6YB7
|
|
0
|
367
|
March 31, 2020
|
|
WaterMaps for several Xrays available
|
|
1
|
312
|
March 31, 2020
|
|
Simulation planning
|
|
2
|
589
|
March 25, 2020
|